2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide

C9H21N3O4S — CID 114816234

IUPAC2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C9H21N3O4S/c1-8(10)9-7-12(4-6-16-9)17(13,14)11-3-5-15-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyLTCPHKVWMLSNFC-UHFFFAOYSA-N
MW267.35 g/mol
LogP-1.48
Rot. Bonds6

About 2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide

2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide (PubChem CID 114816234) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide
PubChem CID114816234
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C9H21N3O4S/c1-8(10)9-7-12(4-6-16-9)17(13,14)11-3-5-15-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyLTCPHKVWMLSNFC-UHFFFAOYSA-N
XLogP-1.48
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-N-(2-methylpropyl)morpholine-4-sulfonamide
CID 114816233
3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114816244
N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide
CID 104978832
2-(1-aminoethyl)-N-cyclopropylmorpholine-4-sulfonamide
CID 114811287
2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 115315266
methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate
CID 115315305
3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide
CID 114816760
1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine
CID 113285038
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide?
The IUPAC name of 2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide (CID 114816234) is 2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide is COCCNS(=O)(=O)N1CCOC(C(C)N)C1.
What is the InChIKey of 2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide?
The InChIKey is LTCPHKVWMLSNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-8(10)9-7-12(4-6-16-9)17(13,14)11-3-5-15-2/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide?
2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of -1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 114816234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).